Calculations in Magnetic Resonance

BRSG Summer Meeting and AGM

23rd September 2010, Oxford, UK

An afternoon meeting of the BRSG will be held on Thursday 23rd September 2010. The subject of the talks will be 'Calculation in Magnetic Resonance' - topics covered include spin dynamics, molecular-dynamics and first-principle simulation of NMR and EPR parameters.

Timetable

1:45pm Meeting Starts Hume-Rothery Lecture Theatre, Dept Materials (next to main Reception)

Session 1 - Chair Steven Brown (Warwick)

1:45pm Paul Hodgkinson - (University of Durham)
   Characterisation of dynamic processes in solids by molecular dynamics simulations and solid-state NMR
2:15pm Ilya Kuprov - (University of Oxford)
   Squeezing the Matrix: efficient spin dynamics simulation software
2:45pm Juan Parra-Robles - (University of Sheffield)
   Finite difference calculations of the Bloch-Torrey equation for modelling diffusion and transverse relaxation in porous networks

3:15pm - 4:15 Tea, Poster Session and BRSG AGM

Session 1 - Chair Jonathan Yates (Oxford)

4:15pm Maria Baias - (University College London)
   Crystal Structure Prediction: Combining Experiments with First-Principles Calculations
4:45pm Davide Ceresoli - (University of Oxford)
   First principles EPR spectra of transition metal organic complexes

5:15pm Meeting Ends

Further Details

Times: 1:45pm - 5:15pm
Location Department of Materials, Oxford
Registration Email brsg2010@gipaw.net deadline 16th September (no fee)
Posters
There will be a poster session. Posters are welcome in any area of Magnetic Resonance. The Founders prize (£100) will be awarded to the best poster. Poster titles should be emailed to brsg2010@gipaw.net deadline 16th September There will be space for posters up to A0 in size, in landscape mode: 1190mm wide x 840mm high. The boards are velcro type, and mounting dots will be provided. (email if this is a problem)

Travel

Oxford is well served by public transport (coach, train). The Materials department is located in the centre of the city, and there is essentially no car parking. Anyone driving is advised to park at one of the 'Park and Ride' car parks and take a bus to the city centre. Limited parking may be available for those with restricted mobility (please email brsg2010@gipaw.net to reserve).
Full details on how to reach the Materials Department can be found on their website

 

 

Enquiries to Jonathan Yates brsg2010@gipaw.net